4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine

C19H30N4 — CID 93209739

IUPAC4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCCN
InChIInChI=1S/C19H30N4/c1-15-13-17-19(21-14-15)23(12-6-5-11-20)18(22-17)10-9-16-7-3-2-4-8-16/h13-14,16H,2-12,20H2,1H3
InChIKeyJZXPUTAERSHFCA-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.99
Rot. Bonds7

About 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine

4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine (PubChem CID 93209739) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
PubChem CID93209739
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCCN
InChIInChI=1S/C19H30N4/c1-15-13-17-19(21-14-15)23(12-6-5-11-20)18(22-17)10-9-16-7-3-2-4-8-16/h13-14,16H,2-12,20H2,1H3
InChIKeyJZXPUTAERSHFCA-UHFFFAOYSA-N
XLogP3.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine (CID 93209739) is 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine is Cc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCCN.
What is the InChIKey of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine?
The InChIKey is JZXPUTAERSHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-15-13-17-19(21-14-15)23(12-6-5-11-20)18(22-17)10-9-16-7-3-2-4-8-16/h13-14,16H,2-12,20H2,1H3.
What are the key properties of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine?
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine has a molecular weight of 314.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine is sourced from PubChem (CID 93209739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).